Cas no 1140-36-9 (3-(4-Bromophenyl)benzo[c]isoxazole)

3-(4-Bromophenyl)benzo[c]isoxazole structure
1140-36-9 structure
Product Name:3-(4-Bromophenyl)benzo[c]isoxazole
CAS No:1140-36-9
MF:C13H8BrNO
MW:274.112722396851
CID:1095151
PubChem ID:15579053
Update Time:2025-04-20

3-(4-Bromophenyl)benzo[c]isoxazole Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Bromophenyl)benzo[c]isoxazole
    • 2,1-Benzisoxazole, 3-(4-broMophenyl)-
    • 3-(4-bromophenyl)-2,1-Benzisoxazole
    • 3-(4-bromophenyl)anthranil
    • DB-060576
    • DTXSID901294596
    • A18097
    • 1140-36-9
    • 3-(4-BROMOPHENYL)-2,1-BENZOXAZOLE
    • Inchi: 1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h1-8H
    • InChI Key: SHCCGVDBBQECPF-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1=C2C=CC=CC2=NO1

Computed Properties

  • Exact Mass: 272.97893g/mol
  • Monoisotopic Mass: 272.97893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 26?2

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